SCHEMBL8554248

SCHEMBL8554248

CCOC(=O)/C(=C\OC)c1csc2nc(-c3ccc(Cl)cc3)cn12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
TP53 P04637 3/20 0.43
THRB P10828 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
ENPP2 Q13822 1/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
IDO1 P14902 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
APP P05067 2/20 0.39
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8555297 0.90 THRB (0.43) MAPTTP53THRBRXFP1APP
SCHEMBL8553036 0.86 THRB (0.42) MAPTTP53THRBKDM4EMEN1
SCHEMBL8553030 0.86 THRB (0.42) MAPTTP53THRBKDM4EMEN1
SCHEMBL8556548 0.73 THRB (0.53) MAPTTP53THRBAPP
SCHEMBL8556775 0.73 KDM4E (0.40) MAPTTP53KDM4EMEN1ALDH1A1
SCHEMBL8556781 0.73 KDM4E (0.40) MAPTTP53KDM4EMEN1ALDH1A1
SCHEMBL3668984 0.70 MAPT (0.59) MAPTTP53THRBALDH1A1POLB
SCHEMBL8556449 0.70 THRB (0.53) MAPTTP53THRBKDM4EMEN1
SCHEMBL27362934 0.69 MAPT (0.59) MAPTTP53KDM4EMEN1ALDH1A1
SCHEMBL27362937 0.67 MAPT (0.59) MAPTTP53MEN1POLBKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0554957-B1 Thiazole derivatives of alkoxyacrylates with a fungicidal activity MINI RICERCA SCIENT TECNOLOG (IT) 1998-04-15 EP claimed
EP-0554957-A2 Thiazole derivatives of alkoxyacrylates with a fungicidal activity MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1993-08-11 EP claimed